3-(1-methyl-6-oxidanylidene-2H-1,2-benzodiazepin-5-yl)propanoic acid

Systemtic Name: 3-(1-methyl-6-oxidanylidene-2H-1,2-benzodiazepin-5-yl)propanoic acid Openeye Name: 3-(1-methyl-6-oxo-2H-1,2-benzodiazepin-5-yl)propanoic acid CAS Name: 3-(1-methyl-6-oxo-2H-1,2-benzodiazepin-5-yl)propanoic acid IUPAC Name: 3-(1-methyl-6-oxo-2H-1,2-benzodiazepin-5-yl)propanoic acid Traditional Name: 3-(6-keto-1-methyl-2H-1,2-benzodiazepin-5-yl)propionic acid Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC(=O)C2=C(C=CN1)CCC(=O)O

Isomeric SMILES

CN1C2=CC=CC(=O)C2=C(C=CN1)CCC(=O)O

InChI

InChI=1S/C13H14N2O3/c1-15-10-3-2-4-11(16)13(10)9(7-8-14-15)5-6-12(17)18/h2-4,7-8,14H,5-6H2,1H3,(H,17,18)